Glycoside
GD137505
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-15-(3,7-dihydroxy-6-methylhept-5-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C42H68O15Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)COAglycone:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C)COSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD52103
Formula: C30H48O5
Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C)CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
